Center for Molecular Modeling - QCB10 https://molmod.ugent.be/conferences/qcb10-0 en QCB10 https://molmod.ugent.be/travel/qcb10 <div class="field field-name-field-conference-location field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Brussels, Belgium</div> </div> </div> <div class="field field-name-field-conference-dates field-type-date field-label-hidden"> <div class="field-items"> <div class="field-item even"><span class="date-display-single" property="dc:date" datatype="xsd:dateTime" content="2012-02-10T00:00:00+01:00">Friday, 10 February, 2012</span></div> </div> </div> <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-above"> <h3 class="field-label">Participant(s)</h3> <span class="field-items"> T. De Meyer, D. Hertsen, S. Catak, K. Lejaeghere </span> </div> <div class="field field-name-field-a1-project field-type-taxonomy-term-reference field-label-above"> <h3 class="field-label">Project ref.</h3> <span class="field-items"> BOF mandaat, GOA06, FWO mandaat, Alliantie (DEF09) I/00048/02, HPC </span> </div> <div class="field field-name-field-conference-reference field-type-taxonomy-term-reference field-label-above"> <h3 class="field-label">Conference reference</h3> <span class="field-items"> QCB10 </span> </div> Thu, 07 Feb 2013 13:30:09 +0000 wim 2019 at https://molmod.ugent.be https://molmod.ugent.be/travel/qcb10#comments Computational Study on the Formation of N-spiro bis-Aziridinium Ions and Their Nucleophile-induced Ring Opening Reactions https://molmod.ugent.be/c1_c3_publications/computational-study-formation-n-spiro-bis-aziridinium-ions-and-their-nucleophile <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/d-hertsen" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">D. Hertsen</a>, <a href="/publication-authors/s-catak" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S. Catak</a>, <a href="/publication-authors/m-waroquier" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">M. Waroquier</a>, <a href="/publication-authors/m-dhooghe" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">M. D&#039;Hooghe</a>, <a href="/publication-authors/n-de-kimpe" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">N. De Kimpe</a>, <a href="/publication-authors/v-van-speybroeck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">V. Van Speybroeck</a> </span> </div> <div class="field field-name-field-poster-or-talk field-type-list-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Poster</div> </div> </div> <div class="field field-name-field-conference-name field-type-text field-label-above"> <h3><div class="field-label">Conference / event / venue&nbsp;</div></h3> <div class="field-items"> <div class="field-item even">QCB10</div> </div> </div> <div class="field field-name-field-conference-location field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Brussels, Belgium</div> </div> </div> <div class="field field-name-field-conference-dates field-type-date field-label-hidden"> <div class="field-items"> <div class="field-item even"><span class="date-display-single" property="dc:date" datatype="xsd:dateTime" content="2012-02-10T00:00:00+01:00">Friday, 10 February, 2012</span></div> </div> </div> <div class="field field-name-field-abstract-private field-type-file field-label-above"> <h3><div class="field-label">Abstract (private)&nbsp;</div></h3> <div class="field-items"> <div class="field-item even"><span class="file"><img class="file-icon" alt="PDF icon" title="application/pdf" src="/modules/file/icons/application-pdf.png" /> <a href="https://molmod.ugent.be/system/files/QCB10-Dietmar%20Hertsen.pdf" type="application/pdf; length=85855">QCB10-Dietmar Hertsen.pdf</a></span></div> </div> </div> <div class="field field-name-field-conference-reference field-type-taxonomy-term-reference field-label-above"> <h3 class="field-label">Conference reference</h3> <span class="field-items"> <a href="/conferences/qcb10-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">QCB10</a> </span> </div> Sat, 21 Apr 2012 11:13:29 +0000 catak 1253 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/computational-study-formation-n-spiro-bis-aziridinium-ions-and-their-nucleophile#comments The pH-sensitive properties of azo dyes in aqueous environment https://molmod.ugent.be/c1_c3_publications/ph-sensitive-properties-azo-dyes-aqueous-environment-0 <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/t-de-meyer" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">T. De Meyer</a>, <a href="/publication-authors/k-hemelsoet" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">K. Hemelsoet</a>, <a href="/publication-authors/l-van-der-schueren" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">L. Van der Schueren</a>, <a href="/publication-authors/e-pauwels" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">E. Pauwels</a>, <a href="/publication-authors/k-de-clerck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">K. De Clerck</a>, <a href="/publication-authors/v-van-speybroeck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">V. Van Speybroeck</a> </span> </div> <div class="field field-name-field-poster-or-talk field-type-list-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Poster</div> </div> </div> <div class="field field-name-field-conference-name field-type-text field-label-above"> <h3><div class="field-label">Conference / event / venue&nbsp;</div></h3> <div class="field-items"> <div class="field-item even">QCB10</div> </div> </div> <div class="field field-name-field-conference-location field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Brussel</div> </div> </div> <div class="field field-name-field-conference-dates field-type-date field-label-hidden"> <div class="field-items"> <div class="field-item even"><span class="date-display-single" property="dc:date" datatype="xsd:dateTime" content="2012-02-10T00:00:00+01:00">Friday, 10 February, 2012</span></div> </div> </div> <div class="field field-name-field-abstract-private field-type-file field-label-above"> <h3><div class="field-label">Abstract (private)&nbsp;</div></h3> <div class="field-items"> <div class="field-item even"><span class="file"><img class="file-icon" alt="PDF icon" title="application/pdf" src="/modules/file/icons/application-pdf.png" /> <a href="https://molmod.ugent.be/system/files/Thierry%20De%20Meyer%20poster%20abstract_0.pdf" type="application/pdf; length=539255">Thierry De Meyer poster abstract.pdf</a></span></div> </div> </div> <div class="field field-name-field-conference-reference field-type-taxonomy-term-reference field-label-above"> <h3 class="field-label">Conference reference</h3> <span class="field-items"> <a href="/conferences/qcb10-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">QCB10</a> </span> </div> Wed, 18 Jan 2012 22:14:16 +0000 thierry 1000 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/ph-sensitive-properties-azo-dyes-aqueous-environment-0#comments The ground state elemental crystals as a benchmark set for solid state DFT: intrinsic accuracy and code comparison https://molmod.ugent.be/c1_c3_publications/ground-state-elemental-crystals-benchmark-set-solid-state-dft-intrinsic-accuracy <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/k-lejaeghere" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">K. Lejaeghere</a>, <a href="/publication-authors/v-van-speybroeck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">V. Van Speybroeck</a>, <a href="/publication-authors/s-cottenier" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S. Cottenier</a> </span> </div> <div class="field field-name-field-poster-or-talk field-type-list-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Poster</div> </div> </div> <div class="field field-name-field-conference-name field-type-text field-label-above"> <h3><div class="field-label">Conference / event / venue&nbsp;</div></h3> <div class="field-items"> <div class="field-item even">QCB10</div> </div> </div> <div class="field field-name-field-conference-location field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Brussels, Belgium</div> </div> </div> <div class="field field-name-field-conference-dates field-type-date field-label-hidden"> <div class="field-items"> <div class="field-item even"><span class="date-display-single" property="dc:date" datatype="xsd:dateTime" content="2012-02-10T00:00:00+01:00">Friday, 10 February, 2012</span></div> </div> </div> <div class="field field-name-field-abstract-private field-type-file field-label-above"> <h3><div class="field-label">Abstract (private)&nbsp;</div></h3> <div class="field-items"> <div class="field-item even"><span class="file"><img class="file-icon" alt="PDF icon" title="application/pdf" src="/modules/file/icons/application-pdf.png" /> <a href="https://molmod.ugent.be/system/files/abstract_QCB.pdf" type="application/pdf; length=122908">abstract_QCB.pdf</a></span></div> </div> </div> <div class="field field-name-field-conference-reference field-type-taxonomy-term-reference field-label-above"> <h3 class="field-label">Conference reference</h3> <span class="field-items"> <a href="/conferences/qcb10-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">QCB10</a> </span> </div> Wed, 18 Jan 2012 14:34:59 +0000 kurt 992 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/ground-state-elemental-crystals-benchmark-set-solid-state-dft-intrinsic-accuracy#comments